Hydrochloric Acid → HCID 57841402, compound

HRID 2151390Notes

Reaction equation

HRID 2151390 reaction equation
[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][NH:19][c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[cH:33][cH:34]2)[cH:10][cH:11]1.[CH2:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[c:41]1[cH:42][cH:43][c:44]([C:45](=[O:46])[Cl:47])[cH:48][cH:49]1.[ClH:1]>>[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][N:19]([c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[C:45]([c:44]3[cH:43][cH:42][c:41]([CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[cH:49][cH:48]3)=[O:46])[cH:33][cH:34]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 1708634-Hexylbenzoyl chlorideHCID 114761686-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Product 1

HCID 57841402HCID 57841402, compound

Sources & evidence

ORD record
ord-e88563d09b4a44279016e30af415c01f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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