Ammonia → tert-butyl N-[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[[5-[6-(methanesulfonamido)-3-pyridinyl]-2-methoxyphenyl]methyl]amino]cyclohexyl]-N-methylcarbamate

HRID 179113Notes

Reaction equation

HRID 179113 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][S:55]([Cl:56])(=[O:57])=[O:58].[CH3:63][OH:64].[Cl:60][CH2:61][Cl:62].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:45][CH3:46])[c:12]([CH2:13][N:14]([CH:15]3[CH2:16][CH2:17][CH:18]([N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH3:29])[CH2:19][CH2:20]3)[C:30](=[O:31])[c:32]3[c:33]([Cl:43])[c:34]4[c:35]([s:36]3)[c:37]([F:42])[cH:38][cH:39][c:40]4[F:41])[cH:44]2)[cH:6][n:7]1.[NH3:59]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:45][CH3:46])[c:12]([CH2:13][N:14]([CH:15]3[CH2:16][CH2:17][CH:18]([N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH3:29])[CH2:19][CH2:20]3)[C:30](=[O:31])[c:32]3[c:33]([Cl:43])[c:34]4[c:35]([s:36]3)[c:37]([F:42])[cH:38][cH:39][c:40]4[F:41])[cH:44]2)[cH:6][n:7]1)[S:55]([CH3:54])(=[O:57])=[O:58]

Participants

8

Reactant 7

HCID 222AmmoniaHCID 887MethanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 59683462tert-Butyl {4-[[5-(6-amino-pyridin-3-yl)-2-methoxy-benzyl]-(3-chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

Product 1

HCID 59683540tert-butyl N-[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[[5-[6-(methanesulfonamido)-3-pyridinyl]-2-methoxyphenyl]methyl]amino]cyclohexyl]-N-methylcarbamate

Sources & evidence

ORD record
ord-67a5025da5cf45abaa5cec53cc6daa97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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