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Bicarbonate Ion → 2-(Chloromethyl)-N-[6-{6-chloro-5-[(methylsulfonyl)amino]-3-pyridinyl}-1-(phenylsulfonyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

HRID 684951
Notes
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Reaction equation

HRID 684951 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[Cl:38][CH2:39][c:40]1[s:41][cH:42][c:43]([C:45](=[O:46])[Cl:47])[n:44]1.[Cl:53][CH2:54][Cl:55].[NH2:1][c:2]1[c:3]2[cH:4][n:5][n:6]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:7]2[cH:8][c:9](-[c:11]2[cH:12][c:13]([NH:18][S:19](=[O:20])(=[O:21])[CH3:22])[c:14]([Cl:17])[n:15][cH:16]2)[cH:10]1.[Na+:52].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[NH:1]([c:2]1[c:3]2[cH:4][n:5][n:6]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:7]2[cH:8][c:9](-[c:11]2[cH:12][c:13]([NH:18][S:19](=[O:20])(=[O:21])[CH3:22])[c:14]([Cl:17])[n:15][cH:16]2)[cH:10]1)[C:45]([c:43]1[cH:42][s:41][c:40]([CH2:39][Cl:38])[n:44]1)=[O:46]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 6344DichloromethaneHCID 58255829N-{5-[4-Amino-1-(phenylsulfonyl)-1H-indazol-6-yl]-2-chloro-3-pyridinyl}methanesulfonamideHCID 597024562-(Chloromethyl)-1,3-thiazole-4-carbonyl chloride

Product 1

HCID 582558462-(Chloromethyl)-N-[6-{6-chloro-5-[(methylsulfonyl)amino]-3-pyridinyl}-1-(phenylsulfonyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

Sources & evidence

ORD record
ord-d7d656fc645b4bd4adde8ac388d28406
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes