Hydrochloric Acid → HCID 22439189, compound

HRID 1146918Notes

Reaction equation

HRID 1146918 reaction equation
[CH:43]([Cl:44])([Cl:45])[Cl:46].[ClH:25].[Na+:26].[OH:1][CH2:2][c:3]1[n:4][n:5][c:6]2[n:7]1-[c:8]1[c:9]([cH:20][c:21]([CH2:23][CH3:24])[s:22]1)[C:10]([c:13]1[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]1)=[N:11][CH2:12]2.[OH:27][C:28](=[O:29])[O-:30].[nH:31]1[c:32]([C:40](=[O:41])[Cl:42])[cH:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]12>>[OH:1][CH2:2][c:3]1[n:4][n:5][c:6]([CH2:12][NH:11][C:40]([c:32]2[nH:31][c:39]3[c:34]([cH:33]2)[cH:35][cH:36][cH:37][cH:38]3)=[O:41])[n:7]1-[c:8]1[c:9]([C:10]([c:13]2[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]2)=[O:27])[cH:20][c:21]([CH2:23][CH3:24])[s:22]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 118162081H-indole-2-carbonyl ChlorideHCID 67727793[4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol

Product 1

HCID 22439189HCID 22439189, compound

Sources & evidence

ORD record
ord-9792ff5ac69f427a8c39254cf9d2efe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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