Hydrochloric Acid → Hydrochloric Acid

HRID 141850Notes

Reaction equation

HRID 141850 reaction equation
[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([CH2:37][n:38]2[cH:39][n:40][cH:41][c:42]2[CH2:43][Cl:44])[cH:45][cH:46]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:30].[c:1]1([N:7]2[CH2:8][N:9]([CH2:18][c:19]3[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]3)[C:10](=[O:17])[C:11]23[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:30].[ClH:44].[c:1]1([N:7]2[CH2:8][N:9]([CH2:18][c:19]3[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]3)[C:10](=[O:17])[C:11]23[CH2:12][CH2:13][N:14]([CH2:43][c:42]2[n:38]([CH2:37][c:36]4[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:46][cH:45]4)[cH:39][n:40][cH:41]2)[CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 97953581-(4-Cyanobenzyl)-5-(chloromethyl)imidazoleHCID 21268368HCID 21268368, compound

Product 2

HCID 313Hydrochloric Acid2×HCID 9960347HCID 9960347, compound

Sources & evidence

ORD record
ord-c732df6d02af45d2a8f000599d501f4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…