Hydrochloric Acid → HCID 15925380, compound

HRID 199506

Reaction equation

HRID 199506 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH2:45]([Cl:46])[Cl:47].[CH:48]([O:49][CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:31][c:32]1[cH:33][c:34]([CH2:35][NH2:36])[cH:37][cH:38][cH:39]1.[ClH:5].[N:6]1([CH2:11][CH:12]([CH3:13])[N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[S:21][c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][c:27]32)[CH2:7][CH2:8][CH2:9][CH2:10]1.[Na+:44].[S:1]([Cl:2])([Cl:3])=[O:4]>>[N:6]1([CH2:11][CH:12]([CH3:13])[N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[S:21][c:22]3[cH:23][cH:24][c:25]([C:28](=[O:30])[NH:36][CH2:35][c:34]4[cH:33][c:32]([Cl:31])[cH:39][cH:38][cH:37]4)[cH:26][c:27]32)[CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 24386Thionyl ChlorideHCID 77802Benzenemethanamine, 3-chloro-HCID 1453663710-(1-Pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxylic acid

Product 1

HCID 15925380HCID 15925380, compound

Sources & evidence

ORD record
ord-b38fdd51b2dc49fd8c14eb3e3a98a8d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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