Hydrochloric Acid → 3-(1-cyanocyclopropyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}-1,3-benzothiazol-6-yl)oxy]phenyl}benzamide

HRID 2330253Notes

Reaction equation

HRID 2330253 reaction equation
[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:34][N:35]1[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[OH:44])[CH2:39][CH2:40]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:70][N:71]([CH3:72])[c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1.[CH3:79][OH:80].[ClH:32].[ClH:33].[ClH:45].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]4([C:29]#[N:30])[CH2:27][CH2:28]4)[cH:23][cH:24][cH:25]3)=[O:31])[cH:15][cH:16][cH:17]1)[cH:10]2.[cH:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]4([C:29]#[N:30])[CH2:27][CH2:28]4)[cH:23][cH:24][cH:25]3)=[O:31])[cH:15][cH:16][cH:17]1)[cH:10]2)[C:42]([CH2:41][N:38]1[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]1)=[O:43]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 887MethanolHCID 1049PyridineHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2762732(4-Methylpiperazin-1-yl)acetic acidHCID 86655364N-{3-[(2-amino-1,3-benzothiazol-6-yl)oxy]phenyl}-3-(1-cyanocyclopropyl)benzamide

Product 1

HCID 251962243-(1-cyanocyclopropyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}-1,3-benzothiazol-6-yl)oxy]phenyl}benzamide

Sources & evidence

ORD record
ord-59920e0a44864d52b70e67dec0b65971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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