Hydrochloric Acid → HCID 72958666, compound

HRID 188198

Reaction equation

HRID 188198 reaction equation
[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH2:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH:8]([NH2:11])[CH2:9][CH2:10]1)[CH3:22].[Cl:64][CH2:65][Cl:66].[ClH:23].[OH2:35].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1.[n:53]1[cH:54][c:55]([CH2:59][CH2:60][C:61](=[O:62])[OH:63])[cH:56][cH:57][cH:58]1>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH2:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH:8]([NH:11][C:61]([CH2:60][CH2:59][c:55]2[cH:54][n:53][cH:58][cH:57][cH:56]2)=[O:62])[CH2:9][CH2:10]1)[CH3:22]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2596243-(Pyridin-3-yl)propanoic acidHCID 686373412-(benzenesulfonylmethyl)-4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine

Product 1

HCID 72958666HCID 72958666, compound

Sources & evidence

ORD record
ord-ec4500677be2426083bda119d02ac759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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