Hydrochloric Acid → N-benzyl-2-(4-{3-chloro-2-[(2,5-dioxo-1-pyrrolidinyl)methyl]-7-oxido-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-b]pyridin-4-yl}phenoxy)acetamide

HRID 663657Notes

Reaction equation

HRID 663657 reaction equation
[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][cH:26][c:27]([O:28][CH2:29][C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[c:4]2[c:5]([n:6][c:7]1[CH2:8][N:9]1[C:10](=[O:15])[CH2:11][CH2:12][C:13]1=[O:14])[s:16][c:17]1[c:18]2[CH2:19][CH2:20][S:21](=[O:23])[CH2:22]1.[ClH:43].[NH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:55].[OH2:66].[OH:56][n:57]1[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][cH:65]1>>[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][cH:26][c:27]([O:28][CH2:29][C:30](=[O:32])[NH:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:33][cH:34]2)[c:4]2[c:5]([n:6][c:7]1[CH2:8][N:9]1[C:10](=[O:15])[CH2:11][CH2:12][C:13]1=[O:14])[s:16][c:17]1[c:18]2[CH2:19][CH2:20][S:21](=[O:23])[CH2:22]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 7504BenzylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 5764791-HydroxybenzimidazoleHCID 22048177(4-{3-chloro-2-[(2,5-dioxo-1-pyrrolidinyl)methyl]-7-oxido-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-b]pyridin-4-yl}phenoxy)acetic acid

Product 1

HCID 22048205N-benzyl-2-(4-{3-chloro-2-[(2,5-dioxo-1-pyrrolidinyl)methyl]-7-oxido-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-b]pyridin-4-yl}phenoxy)acetamide

Sources & evidence

ORD record
ord-2c023e21efe54257bc2d03bd2b04e8d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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